1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol

C10H18F3NO — CID 63900050

IUPAC1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
SMILESCC1(CNCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c1-9(4-2-3-5-9)7-14-6-8(15)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyIWFOVXQWIXXQEW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds4

About 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol (PubChem CID 63900050) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
PubChem CID63900050
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
SMILESCC1(CNCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c1-9(4-2-3-5-9)7-14-6-8(15)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyIWFOVXQWIXXQEW-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol (CID 63900050) is 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol is CC1(CNCC(O)C(F)(F)F)CCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
The InChIKey is IWFOVXQWIXXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(4-2-3-5-9)7-14-6-8(15)10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol is sourced from PubChem (CID 63900050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).